SCHEMBL7929583

SCHEMBL7929583

CCCCOc1cc(C=O)ccc1OCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.52
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 8/20 0.46
HPGD P15428 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PDE4B Q07343 6/20 0.46
TACR2 P21452 1/20 0.43
CYP2C9 P11712 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP1A2 P05177 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30834674 0.87 FDPS (0.67) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL2821372 0.87 FDPS (0.67) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL13411409 0.84 FDPS (0.63) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL498127 0.83 ALDH1A1 (0.62) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL13232716 0.83 DRD2 (0.47) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL30352601 0.83 ALDH1A1 (0.62) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL637014 0.83 FDPS (0.67) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL13221144 0.83 ALDH1A1 (0.63) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL30317609 0.82 FDPS (0.65) FDPSMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL6194744 0.82 FDPS (0.65) FDPSMAPTNPSR1SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed